U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsSi3O7 by Materials Project
Abstract
CsSi3O7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cs is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Cs–O bond distances ranging from 3.06–3.24 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the third Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Cs and two Si atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Si atom. In the fourth O site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1202483
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CsSi3O7; Cs-O-Si
- OSTI Identifier:
- 1695303
- DOI:
- https://doi.org/10.17188/1695303
Citation Formats
The Materials Project. Materials Data on CsSi3O7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1695303.
The Materials Project. Materials Data on CsSi3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1695303
The Materials Project. 2019.
"Materials Data on CsSi3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1695303. https://www.osti.gov/servlets/purl/1695303. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1695303,
title = {Materials Data on CsSi3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSi3O7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cs is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Cs–O bond distances ranging from 3.06–3.24 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the third Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Cs and two Si atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Si atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Cs and one Si atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Cs and two Si atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two Si atoms.},
doi = {10.17188/1695303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}